4-Nitropyrene

Base Information

• Chemical Name: 4-Nitropyrene
• CAS No.: 57835-92-4
• Molecular Formula: C16H9 N O2
• Molecular Weight: 247.253
• European Community (EC) Number: 678-310-6
• UNII: XOT1408EDI
• DSSTox Substance ID: DTXSID5074844
• Nikkaji Number: J260.410H
• Wikidata: Q27155897
• NCI Thesaurus Code: C44325
• ChEMBL ID: CHEMBL164499
• Mol file: 57835-92-4.mol

Synonyms:4-nitropyrene

Chemical Property of 4-Nitropyrene

Chemical Property:

• Melting Point: 187.0 to 192.0 °C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 445.5°Cat760mmHg
• Flash Point: 223.5°C
• PSA: 45.82000
• Density: 1.422g/cm³
• LogP: 5.01540
• Storage Temp.: -20°C Freezer
• Solubility.: Acetonitrile (Slightly, Sonicated), Chloroform (Slightly)
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 247.063328530
• Heavy Atom Count: 19
• Complexity: 377

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Nitropyrene ^*data from reagent suppliers

Safty Information:

• Safety Statements: Confirmed carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decompositi"> x." target="_blank">Confirmed carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decompositi

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)[N+](=O)[O-]
• Uses: 4-Nitropyrene is used only as a laboratory chemical (IARC 1989); there is no evidence that it has ever been used for commercial purposes. 4-Nitropyrene is a polycyclic aromatic hydrocarbon (PAH) pollutant that was found in ambient air of the Arctic town Longyearbyen, Svalbard.

Technology Process of 4-Nitropyrene

There total 3 articles about 4-Nitropyrene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 36.0%

pyrene (129-00-0) → 1-nitropyrene (5522-43-0) + pyrene-1,6-dione (1785-51-9) + pyrene-1,8-dione (2304-85-0) + 4-nitropyrene (57835-92-4)

Guidance literature:

With pyridine; pyridium nitrate; for 0.25h; Further byproducts given; Heating;

Reference yield: 30.0%

pyrene (129-00-0) → 1-nitropyrene (5522-43-0) + 4-nitropyrene (57835-92-4) + 7-aci-Nitro-2-oxopyrene

Guidance literature:

With pyridine; water; pyridium nitrate; for 0.5h; Heating;

Reference yield:

pyrene (129-00-0) → 1-nitropyrene (5522-43-0) + 4-nitropyrene (57835-92-4) + 2-nitropyrene (789-07-1)

Guidance literature:

With ozone; dinitrogen pentoxide; at 20 ℃; under 720.072 Torr; Darkness;

DOI:10.1039/c5ra24368h

upstream raw materials:

pyrene

Downstream raw materials:

pyren-4-ylamine

pyrene

1-hydroxypyrene

pyrene-4,5-dione

Refernces

• 1、 Nefedov. "Abnormal orientation in nitration of anthracene, pyrene, and perylene with pyridinium nitrate. 2-Nitroanthracene and 4-nitropyrene". . p. 1165 - 1171. Retrieved 2007/10/03.